3-benzyl-10-methyl-6-phenyl-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one

• ChemBase ID: 206692
• Molecular Formular: C25H21NO3
• Molecular Mass: 383.43914
• Monoisotopic Mass: 383.15214354
• SMILES: c12c(c(c3c(c2)CN(CO3)Cc2ccccc2)C)oc(=O)cc1c1ccccc1
• Canonical SMILES: O=c1cc(c2ccccc2)c2c(o1)c(C)c1c(c2)CN(CO1)Cc1ccccc1
• InChI: InChI=1S/C25H21NO3/c1-17-24-20(15-26(16-28-24)14-18-8-4-2-5-9-18)12-22-21(13-23(27)29-25(17)22)19-10-6-3-7-11-19/h2-13H,14-16H2,1H3
• InChIKey: CJFWNSPBVJTZBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-benzyl-10-methyl-6-phenyl-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one
• IUPAC Traditional name: 3-benzyl-10-methyl-6-phenyl-2H,4H-chromeno[6,7-e][1,3]oxazin-8-one

Database IDs

• PubChem SID: 164262602
• PubChem CID: 1776898

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.0763893
• LogD (pH = 7.4): 5.175335
• Log P: 5.176754
• Molar Refractivity: 122.6015 cm^3
• Polarizability: 43.653908 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds